Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 13/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28986262 | 1.00 | MAP3K14 (0.49) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL30219561 | 0.84 | MAP3K14 (0.50) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL28986302 | 0.84 | MAP3K14 (0.49) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL30219567 | 0.84 | MAP3K14 (0.50) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL28986271 | 0.84 | MAP3K14 (0.50) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL28986265 | 0.84 | MAP3K14 (0.50) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL30219605 | 0.81 | MAP3K14 (0.53) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL28986228 | 0.81 | MAP3K14 (0.53) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 | |
| SCHEMBL28986263 | 0.78 | MAPKAPK2 (0.56) | MAP3K14MAPKAPK2LCKKITSRC | |
| SCHEMBL28986246 | 0.77 | MAPKAPK2 (0.57) | MAP3K14MAPKAPK2CDC7CDK2ROCK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810110-B | Compound with 2-aminopyrimidine structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | disclosed |